N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide

C19H20N4O5 — CID 3505980

IUPACN-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C19H20N4O5/c1-12-3-8-16(13(2)11-12)20-17(24)9-10-18(25)21-22-19(26)14-4-6-15(7-5-14)23(27)28/h3-8,11H,9-10H2,1-2H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeySDGOJZPXJNSDNC-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.39
Rot. Bonds6

About N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide

N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide (PubChem CID 3505980) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
PubChem CID3505980
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C19H20N4O5/c1-12-3-8-16(13(2)11-12)20-17(24)9-10-18(25)21-22-19(26)14-4-6-15(7-5-14)23(27)28/h3-8,11H,9-10H2,1-2H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeySDGOJZPXJNSDNC-UHFFFAOYSA-N
XLogP2.39
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[[4-(2,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-nitrobenzamide
CID 5089227
N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 3352206
N-(2,4-dimethylphenyl)-4-[2-[4-(2-methoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 17353600
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 7751857
4-[2-(4-chloro-3-nitrobenzoyl)hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3382868
methyl 4-(2-methyl-4-nitroanilino)-4-oxobutanoate
CID 2844064
N-[[[4-(2,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-fluorobenzamide
CID 5088528
(3-nitrophenyl)methyl 4-(2,4-dimethylanilino)-4-oxobutanoate
CID 3622585
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide
CID 4115842

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide (CID 3505980) is N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide is Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is SDGOJZPXJNSDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-12-3-8-16(13(2)11-12)20-17(24)9-10-18(25)21-22-19(26)14-4-6-15(7-5-14)23(27)28/h3-8,11H,9-10H2,1-2H3,(H,20,24)(H,21,25)(H,22,26).
What are the key properties of N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide?
N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 384.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 3505980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).